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. Author manuscript; available in PMC: 2017 Mar 30.
Published in final edited form as: J Comput Chem. 2015 Dec 21;37(8):753–762. doi: 10.1002/jcc.24259

Figure 1.

Figure 1

The importance of receptor flexibility has become more obvious with the increase of structural data. For instance, pictured here is an overlay of an apo (PDBID: 1AHC in green) and holo (PDBID: 1AHB in blue and grey) structure of alpha-Momorcharin. There is a steric clash between the ligand and the apo structure that would prevent rigid docking methods from predicted the crystallographic conformation.